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Ermod: fast and versatile computation software for solvation free energy with approximate theory of solutions

Shun Sakuraba1, Nobuyuki Matubayasi

  • 1Quantum Beam Science Directorate, Japan Atomic Energy Agency, Kizugawa, Kyoto, 619-0215, Japan; Institute for Molecular Science, Okazaki, Aichi, 444-8585, Japan.

Journal of Computational Chemistry
|June 14, 2014
PubMed

Keywords:
distribution functionenergy representationmolecular simulationsolution theorysolvation free energy

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